Propylbenzene

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  • Identifiers

    CAS number
    103-65-1

    Molecular formula
    C9H12

    SMILES
    CCCC1=CC=CC=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 1267.5

  • Odor profile

    Fragrance
    Sweet 53.13%
    Green 38.01%
    Gassy 35.22%
    Herbal 29.59%
    Woody 28.92%
    Earthy 28.48%
    Spicy 27.26%
    Citrus 26.24%
    Fatty 24.61%
    Dry 24.19%

     

    Flavor
    Sweet 50.6%
    Gasoline 28.41%
    Anise 27.01%
    Plastic 26.22%
    Rose 24.66%
    Green 24.59%
    Licorice 22.99%
    Tar 22.44%
    Tarry 21.98%
    Balsam 21.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.58 (neutral)

    Molecular weight
    120.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -146.2 °F (USCG, 1999)
    • -99.5 °C

    Boiling point

    • 318.2 °F at 760 mmHg (USCG, 1999)
    • 159.2 °C

    Flash point

    • 42.61 ˚C est.
    • 118 °F (USCG, 1999)
    • 86 °F (closed cup)

    Solubility expt.

    • Very slightly sol in water (0.06 g/l); sol in alcohol, ether
    • Miscible in ethanol, ethyl ether, and acetone
    • Water solubility of 23.4 mg/l at 25 °C.

  • Synonyms

    • Propylbenzene
    • N-PROPYLBENZENE
    • 103-65-1
    • 1-Phenylpropane
    • Phenylpropane
    • Isocumene
    • Benzene, propyl-
    • 1-Propylbenzene
    • n-Propyl benzene
    • Propylbenzene, n-
    • propyl benzene
    • Propyl-benzene
    • NSC 16941
    • HSDB 5353
    • UNII-0WR86ZHG2Z
    • EINECS 203-132-9
    • 0WR86ZHG2Z
    • DTXSID3042219
    • CHEBI:42630
    • AI3-23862
    • NSC-16941
    • CHEMBL286062
    • DTXCID1022219
    • Propylbenzene, analytical standard
    • UN2364
    • Propylbenzene (all isomers)
    • benzene, propyl
    • 3H0
    • Benzene, n-propyl-
    • MFCD00009377
    • PRPH
    • Propylbenzene, 98%
    • BENZENE,PROPYL
    • PROPYLBENZENE [MI]
    • WLN: 3R
    • N-PROPYLBENZENE [HSDB]
    • HMS3754O19
    • Propylbenzene, >=99.0% (GC)
    • NSC16941
    • QCA08758
    • Tox21_300567
    • BDBM50167945
    • AKOS000120950
    • FP54926
    • UN 2364
    • NCGC00248093-01
    • NCGC00254532-01
    • CAS-103-65-1
    • n-Propylbenzene 100 microg/mL in Methanol
    • NS00006753
    • P0523
    • S0656
    • EN300-20607
    • n-Propyl benzene [UN2364] [Flammable liquid]
    • A800778
    • Q288806
    • Z104479154
    • InChI=1/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H
    • 203-132-9

  • Applications

    Propylbenzene (CAS 103-65-1) is typically used as a non-polar solvent in coatings, inks, adhesives, and cleaning formulations, providing solvency for aromatic and hydrocarbon systems. It also serves as a chemical intermediate in the synthesis of other aromatic compounds and specialty chemicals, including fragrance-related ingredients. In plastics and polymer formulations, it can act as a processing solvent or carrier, and it may serve as a feedstock for the production of related alkylbenzenes and derivatives used in coatings and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1911.93
    methanol 762.28
    isopropanol 1695.91
    water 0.05
    ethyl acetate 3016.93
    n-propanol 1733.07
    acetone 3464.69
    n-butanol 2034.66
    acetonitrile 2893.86
    DMF 1960.41
    toluene 2055.14
    isobutanol 1362.88
    1,4-dioxane 4376.3
    methyl acetate 2204.73
    THF 5392.97
    2-butanone 2856.03
    n-pentanol 1234.44
    sec-butanol 1514.64
    n-hexane 2164.44
    ethylene glycol 116.33
    NMP 1503.84
    cyclohexane 2663.01
    DMSO 2502.52
    n-butyl acetate 6529.26
    n-octanol 1072.91
    chloroform 5557.88
    n-propyl acetate 1962.75
    acetic acid 886.13
    dichloromethane 6871.65
    cyclohexanone 4133.3
    propylene glycol 211.22
    isopropyl acetate 1454.73
    DMAc 1035.58
    2-ethoxyethanol 851.31
    isopentanol 1458.05
    n-heptane 3539.03
    ethyl formate 1655.72
    1,2-dichloroethane 4817.38
    n-hexanol 3953.35
    2-methoxyethanol 1303.19
    isobutyl acetate 1091.06
    tetrachloromethane 1294.96
    n-pentyl acetate 1380.35
    transcutol 3059.52
    n-heptanol 1034.65
    ethylbenzene 1039.85
    MIBK 1337.5
    2-propoxyethanol 2593.86
    tert-butanol 1827.1
    MTBE 2311.63
    2-butoxyethanol 928.12
    propionic acid 973.05
    o-xylene 815.83
    formic acid 69.36
    diethyl ether 4350.85
    m-xylene 1070.82
    p-xylene 1052.47
    chlorobenzene 2128.15
    dimethyl carbonate 554.39
    n-octane 741.32
    formamide 170.87
    cyclopentanone 3647.31
    2-pentanone 2835.09
    anisole 1292.75
    cyclopentyl methyl ether 2952.27
    gamma-butyrolactone 2903.93
    1-methoxy-2-propanol 1170.06
    pyridine 3306.87
    3-pentanone 2093.13
    furfural 1617.87
    n-dodecane 365.14
    diethylene glycol 732.96
    diisopropyl ether 1164.77
    tert-amyl alcohol 1255.73
    acetylacetone 1767.05
    n-hexadecane 419.15
    acetophenone 882.85
    methyl propionate 1808.96
    isopentyl acetate 3782.34
    trichloroethylene 5435.56
    n-nonanol 853.78
    cyclohexanol 1907.48
    benzyl alcohol 597.67
    2-ethylhexanol 2874.08
    isooctanol 721.23
    dipropyl ether 6252.18
    1,2-dichlorobenzene 1483.89
    ethyl lactate 378.31
    propylene carbonate 1809.22
    n-methylformamide 849.58
    2-pentanol 1446.94
    n-pentane 1514.6
    1-propoxy-2-propanol 2511.26
    1-methoxy-2-propyl acetate 2160.45
    2-(2-methoxypropoxy) propanol 687.31
    mesitylene 675.26
    ε-caprolactone 2826.74
    p-cymene 1064.54
    epichlorohydrin 3771.76
    1,1,1-trichloroethane 3845.14
    2-aminoethanol 318.68
    morpholine-4-carbaldehyde 1575.92
    sulfolane 2671.29
    2,2,4-trimethylpentane 341.74
    2-methyltetrahydrofuran 4766.21
    n-hexyl acetate 1843.34
    isooctane 377.48
    2-(2-butoxyethoxy)ethanol 1013.94
    sec-butyl acetate 1038.65
    tert-butyl acetate 1362.08
    decalin 641.43
    glycerin 195.17
    diglyme 2152.7
    acrylic acid 563.14
    isopropyl myristate 787.88
    n-butyric acid 2004.77
    acetyl acetate 1140.95
    di(2-ethylhexyl) phthalate 404.49
    ethyl propionate 1493.41
    nitromethane 1523.43
    1,2-diethoxyethane 3486.68
    benzonitrile 1362.37
    trioctyl phosphate 391.58
    1-bromopropane 4901.29
    gamma-valerolactone 2683.59
    n-decanol 647.06
    triethyl phosphate 638.07
    4-methyl-2-pentanol 638.71
    propionitrile 2553.62
    vinylene carbonate 1391.22
    1,1,2-trichlorotrifluoroethane 1055.12
    DMS 851.34
    cumene 571.89
    2-octanol 678.35
    2-hexanone 2205.91
    octyl acetate 881.7
    limonene 2098.65
    1,2-dimethoxyethane 2615.16
    ethyl orthosilicate 656.75
    tributyl phosphate 532.38
    diacetone alcohol 935.88
    N,N-dimethylaniline 718.2
    acrylonitrile 1947.73
    aniline 1212.91
    1,3-propanediol 596.08
    bromobenzene 2712.8
    dibromomethane 5915.55
    1,1,2,2-tetrachloroethane 3816.82
    2-methyl-cyclohexyl acetate 1298.94
    tetrabutyl urea 730.47
    diisobutyl methanol 1155.99
    2-phenylethanol 1141.88
    styrene 1416.4
    dioctyl adipate 806.8
    dimethyl sulfate 597.84
    ethyl butyrate 3346.52
    methyl lactate 364.44
    butyl lactate 596.97
    diethyl carbonate 1469.91
    propanediol butyl ether 578.26
    triethyl orthoformate 1555.57
    p-tert-butyltoluene 925.69
    methyl 4-tert-butylbenzoate 666.49
    morpholine 4289.73
    tert-butylamine 1543.23
    n-dodecanol 547.7
    dimethoxymethane 1938.17
    ethylene carbonate 1524.88
    cyrene 432.36
    2-ethoxyethyl acetate 1286.48
    2-ethylhexyl acetate 3246.75
    1,2,4-trichlorobenzene 1348.42
    4-methylpyridine 3016.75
    dibutyl ether 2964.15
    2,6-dimethyl-4-heptanol 1155.99
    DEF 2233.27
    dimethyl isosorbide 1319.41
    tetrachloroethylene 2548.06
    eugenol 553.38
    triacetin 847.19
    span 80 726.16
    1,4-butanediol 228.43
    1,1-dichloroethane 4657.6
    2-methyl-1-pentanol 909.12
    methyl formate 754.39
    2-methyl-1-butanol 1321.98
    n-decane 649.45
    butyronitrile 3399.63
    3,7-dimethyl-1-octanol 1023.38
    1-chlorooctane 1483.0
    1-chlorotetradecane 563.47
    n-nonane 824.64
    undecane 466.1
    tert-butylcyclohexane 568.67
    cyclooctane 962.56
    cyclopentanol 1662.73
    tetrahydropyran 6461.62
    tert-amyl methyl ether 1451.9
    2,5,8-trioxanonane 1225.09
    1-hexene 4003.21
    2-isopropoxyethanol 683.95
    2,2,2-trifluoroethanol 160.45
    methyl butyrate 2172.09

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Fagraea berteriana flower Fagraea berteriana A. Gray ex Benth., fam. Potaliaceae 0.03%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.05%